Bayesian optimization of nanoporous materials
Aryan Deshwal, Cory M. Simon, Janardhan Rao Doppa
Abstract
In Bayesian optimization, we efficiently search for an optimal material by iterating between (i) conducting an experiment on a material, (ii) updating our knowledge, and (iii) selecting the next material for an experiment.
Topics & Concepts
Bayesian optimizationNanoporousBayesian probabilityComputer scienceMaterials scienceArtificial intelligenceNanotechnologyMachine Learning in Materials ScienceMachine Learning and AlgorithmsMetal-Organic Frameworks: Synthesis and Applications